methyl 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate

Systemtic Name: methyl 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate Openeye Name: methyl 2-[(E)-2-(2-ethoxyphenyl)vinyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate CAS Name: 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-1,3,3-trimethyl-5-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-1,3,3-trimethylindol-1-ium-5-carboxylate Traditional Name: 1,3,3-trimethyl-2-[(E)-2-o-phenetylvinyl]indol-1-ium-5-carboxylic acid methyl ester Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC2=[N+](C3=C(C2(C)C)C=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C2=[N+](C3=C(C2(C)C)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C23H26NO3/c1-6-27-20-10-8-7-9-16(20)12-14-21-23(2,3)18-15-17(22(25)26-5)11-13-19(18)24(21)4/h7-15H,6H2,1-5H3/q+1/b14-12+